Ethyl Acetate → HCID 178490349, compound
Reaction equation
[CH3:12][c:13]1[c:14]([CH2:15][NH:16][C:17](=[O:18])[CH:19]2[N:20]([C:26]([CH:27]([CH:28]([CH2:29][c:30]3[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[NH2:38])[OH:39])=[O:40])[CH2:21][S:22][C:23]2([CH3:24])[CH3:25])[cH:41][cH:42][cH:43][cH:44]1.[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[NH2:1][c:2]1[c:3]([Cl:11])[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][cH:10]1>>[NH2:1][c:2]1[c:3]([Cl:11])[c:4]([C:5](=[O:7])[NH:38][CH:28]([CH:27]([C:26]([N:20]2[CH:19]([C:17]([NH:16][CH2:15][c:14]3[c:13]([CH3:12])[cH:44][cH:43][cH:42][cH:41]3)=[O:18])[C:23]([CH3:24])([CH3:25])[S:22][CH2:21]2)=[O:40])[OH:39])[CH2:29][c:30]2[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]2)[cH:8][cH:9][cH:10]1Participants
4
Sources & evidence
- ORD record
- ord-313d168cce1a4e689862cb6c161e648c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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